All electron DFT with Fleur - a Hands-on Tutorial
This school focuses on educating the participants on the one hand on the theoretical background of DFT, FLAPW, and the GW approximation. On the other hand it provides practical know-how on the usage of the new FLEUR versions developed in the last years to HPC infrastructures and workflow automatization for HTC with the AiiDA framework. To transfer these foundations into the capability to actually perform respective calculations, hands-on sessions are provided to train the participants on the usage of the Fleur code, SPEX-Fleur, and the AiiDA-Fleur plugin. While most examples are focussing on the calculation of magnetic properties, the participants will also have the opportunity to present their own research and discuss their projects with expert users and developers of the codes to explore calculation approaches fulfilling their personal needs.
PLEASE USE THE REGISTRATION FORM ON THE WORKSHOPS WEBPAGE AND NOT THE CECAM REGISTRATION
Daniel Wortmann (Forschungszentrum Jülich) - Organiser